N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)-N-(prop-2-en-1-yl)urea
Chemical Structure Depiction of
N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)-N-(prop-2-en-1-yl)urea
N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)-N-(prop-2-en-1-yl)urea
Compound characteristics
| Compound ID: | V027-5411 |
| Compound Name: | N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)-N-(prop-2-en-1-yl)urea |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C25 H34 N6 O2 |
| Salt: | not_available |
| Smiles: | CC(C)NC(N(CC=C)CC(N1CCCN(CC1)c1ccc(c2ccc(C)cc2)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5369 |
| logD: | 3.5037 |
| logSw: | -3.4931 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.735 |
| InChI Key: | VVHUVMBKZZTSDI-UHFFFAOYSA-N |